4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C19H17FN4O4S — CID 55961764

IUPAC4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2nnco2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H17FN4O4S/c20-16-8-5-14(11-17(16)29(26,27)24-9-1-2-10-24)18(25)22-15-6-3-13(4-7-15)19-23-21-12-28-19/h3-8,11-12H,1-2,9-10H2,(H,22,25)
InChIKeyWKXFMLIYURNTCX-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.91
Rot. Bonds5

About 4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55961764) has the molecular formula C19H17FN4O4S and a molecular weight of 416.43 g/mol. Its IUPAC name is 4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55961764
Molecular FormulaC19H17FN4O4S
Molecular Weight416.43 g/mol
Exact Mass416.10
IUPAC Name4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2nnco2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H17FN4O4S/c20-16-8-5-14(11-17(16)29(26,27)24-9-1-2-10-24)18(25)22-15-6-3-13(4-7-15)19-23-21-12-28-19/h3-8,11-12H,1-2,9-10H2,(H,22,25)
InChIKeyWKXFMLIYURNTCX-UHFFFAOYSA-N
XLogP2.91
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27906900
[4-(1,3,4-oxadiazol-2-yl)phenyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 16551651
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide
CID 78850471
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55961764) is 4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is WKXFMLIYURNTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4S/c20-16-8-5-14(11-17(16)29(26,27)24-9-1-2-10-24)18(25)22-15-6-3-13(4-7-15)19-23-21-12-28-19/h3-8,11-12H,1-2,9-10H2,(H,22,25).
What are the key properties of 4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 416.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55961764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).